CID 34649

P-cyclopropyl-alpha-((isopropylamino)methyl)-benzyl alcohol hydrochloride

Structural Information

Molecular Formula
C14H21NO
SMILES
CC(C)NCC(C1=CC=C(C=C1)C2CC2)O
InChI
InChI=1S/C14H21NO/c1-10(2)15-9-14(16)13-7-5-12(6-8-13)11-3-4-11/h5-8,10-11,14-16H,3-4,9H2,1-2H3
InChIKey
ZUJNDDLMYRXHOU-UHFFFAOYSA-N
Compound name
1-(4-cyclopropylphenyl)-2-(propan-2-ylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.16231 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16959 151.4
[M+Na]+ 242.15153 163.4
[M+NH4]+ 237.19613 160.2
[M+K]+ 258.12547 158.9
[M-H]- 218.15503 161.7
[M+Na-2H]- 240.13698 160.3
[M]+ 219.16176 157.0
[M]- 219.16286 157.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.